Publisher's Note: “Reactive scattering dynamics of rotational wavepackets: A case study using the model H + H2 and F + H2 reactions with aligned and anti-aligned H2” [J. Chem. Phys. 139, 104315 (2013)]

C. J. Eyles; M. Leibscher

doi:10.1063/1.4826556

Publisher's Note: “Reactive scattering dynamics of rotational wavepackets: A case study using the model H + H2 and F + H2 reactions with aligned and anti-aligned H2” [J. Chem. Phys. 139, 104315 (2013)]

The Journal of Chemical Physics ◽

10.1063/1.4826556 ◽

2013 ◽

Vol 139 (16) ◽

pp. 169902

Author(s):

C. J. Eyles ◽

M. Leibscher

Keyword(s):

Chem Phys ◽

Reactive Scattering

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Erratum: “Analytic Morse/long-range potential energy surfaces and ‘adiabatic-hindered-rotor’ treatment for a symmetric top-linear molecule dimer: A case study of CH3F–H2” [J. Chem. Phys. 148, 124302 (2018)]

The Journal of Chemical Physics ◽

10.1063/1.5105344 ◽

2019 ◽

Vol 150 (20) ◽

pp. 209901 ◽

Cited By ~ 1

Author(s):

Xiao-Long Zhang ◽

Yong-Tao Ma ◽

Yu Zhai ◽

Hui Li

Keyword(s):

Potential Energy ◽

Long Range ◽

Potential Energy Surfaces ◽

Chem Phys ◽

Linear Molecule ◽

Range Potential ◽

Energy Surfaces

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Li + HF: A Case Study to Develop Novel Computational Technologies for Reactive Scattering†

The Journal of Physical Chemistry A ◽

10.1021/jp003506c ◽

2001 ◽

Vol 105 (11) ◽

pp. 2361-2368 ◽

Cited By ~ 2

Author(s):

Antonio Laganà ◽

Stefano Crocchianti

Keyword(s):

Reactive Scattering

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Response to “Comment on ‘Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5”’ [J. Chem. Phys. 143, 177101 (2015)]

The Journal of Chemical Physics ◽

10.1063/1.4935182 ◽

2015 ◽

Vol 143 (17) ◽

pp. 177102 ◽

Cited By ~ 1

Author(s):

Yu Harabuchi ◽

Yuriko Ono ◽

Satoshi Maeda ◽

Tetsuya Taketsugu

Keyword(s):

Gold Cluster ◽

Chem Phys ◽

Reaction Pathways ◽

Reaction Route ◽

Global Reaction

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Reactant-product decoupling method for state-to-state reactive scattering: A case study for 3D H+H2 exchange reaction (J=0)

The Journal of Chemical Physics ◽

10.1063/1.473315 ◽

1997 ◽

Vol 106 (5) ◽

pp. 1742-1748 ◽

Cited By ~ 38

Author(s):

Wei Zhu ◽

Tong Peng ◽

John Z. H. Zhang

Keyword(s):

Exchange Reaction ◽

Reactive Scattering ◽

Decoupling Method

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Reactive scattering dynamics of rotational wavepackets: A case study using the model H+H2 and F+H2 reactions with aligned and anti-aligned H2

The Journal of Chemical Physics ◽

10.1063/1.4820881 ◽

2013 ◽

Vol 139 (10) ◽

pp. 104315 ◽

Cited By ~ 2

Author(s):

C. J. Eyles ◽

M. Leibscher

Keyword(s):

Reactive Scattering

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The quantitative prediction and lifetime of a pronounced reactive scattering resonance (Chem. Phys. Letters 241 (1995) 229)

Chemical Physics Letters ◽

10.1016/0009-2614(95)00932-t ◽

1995 ◽

Vol 243 (5-6) ◽

pp. 586 ◽

Cited By ~ 6

Author(s):

A. Kuppermann ◽

M. Wu

Keyword(s):

Chem Phys ◽

Quantitative Prediction ◽

Reactive Scattering

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Comment on “Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands” [J. Chem. Phys. 140, 094301 (2014)]

The Journal of Chemical Physics ◽

10.1063/1.4964502 ◽

2016 ◽

Vol 145 (14) ◽

pp. 147101 ◽

Cited By ~ 3

Author(s):

Manuel Díaz-Tinoco ◽

J. V. Ortiz

Keyword(s):

Ab Initio ◽

Chem Phys ◽

Halogen Atoms ◽

Cyanide Ligands ◽

High Level

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Comment on “Uncertainties in scaling factors for ab initio vibrational zero-point energies” [J. Chem. Phys. 130, 114102 (2009)] and “Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional” [J. Chem. Phys. 133, 114109 (2010)]

The Journal of Chemical Physics ◽

10.1063/1.3581022 ◽

2011 ◽

Vol 134 (16) ◽

pp. 167101 ◽

Cited By ~ 12

Author(s):

Pascal Pernot ◽

Fabien Cailliez

Keyword(s):

Ab Initio ◽

Zero Point ◽

Chem Phys ◽

Hybrid Functional ◽

Scaling Factors ◽

Calibration Sets

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Erratum: “Achieving plane wave accuracy in linear-scaling density functional theory applied to periodic systems: A case study on crystalline silicon” [J. Chem. Phys. 127, 164712 (2007)]

The Journal of Chemical Physics ◽

10.1063/5.0005883 ◽

2020 ◽

Vol 152 (11) ◽

pp. 119901

Author(s):

Chris-Kriton Skylaris ◽

Peter D. Haynes

Keyword(s):

Density Functional Theory ◽

Plane Wave ◽

Density Functional ◽

Crystalline Silicon ◽

Chem Phys ◽

Periodic Systems ◽

Linear Scaling ◽

Functional Theory

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Publisher’s Note: “Reactive scattering calculations for 87Rb+87RbHe→Rb2(3Σu+,v)+He from ultralow to intermediate energies” [J. Chem. Phys. 142, 164304 (2015)]

The Journal of Chemical Physics ◽

10.1063/1.4921246 ◽

2015 ◽

Vol 142 (18) ◽

pp. 189902

Author(s):

Rocío Rodríguez-Cantano ◽

Tomás González-Lezana ◽

Rita Prosmiti ◽

Gerardo Delgado-Barrio ◽

Pablo Villarreal ◽

...

Keyword(s):

Chem Phys ◽

Reactive Scattering ◽

Intermediate Energies

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